CID 61252399

4-hydroxy-1-(pyrimidin-4-yl)pyrrolidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H11N3O3
SMILES
C1C(CN(C1C(=O)O)C2=NC=NC=C2)O
InChI
InChI=1S/C9H11N3O3/c13-6-3-7(9(14)15)12(4-6)8-1-2-10-5-11-8/h1-2,5-7,13H,3-4H2,(H,14,15)
InChIKey
WSMJKBXOBIAVKU-UHFFFAOYSA-N
Compound name
4-hydroxy-1-pyrimidin-4-ylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08005 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.087326 144.4
[M+Na]+ 232.069268 151.7
[M-H]- 208.072774 144.7
[M+NH4]+ 227.113873 159.2
[M+K]+ 248.043208 149.0
[M+H-H2O]+ 192.077310 136.2
[M+HCOO]- 254.078251 161.1
[M+CH3COO]- 268.093901 179.4
[M+Na-2H]- 230.054716 146.9
[M]+ 209.07950142 141.2
[M]- 209.08059858 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.